naphthalen-1-yl-[(3S)-1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: naphthalen-1-yl-[(3S)-1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]piperidin-1-ium-3-yl]methanone Openeye Name: [(3S)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone CAS Name: [(3S)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-piperidin-1-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-1-ium-3-yl]-naphthalen-1-ylmethanone Traditional Name: [(3S)-1-[4-(4-hydroxybut-1-ynyl)benzyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone Formula: C27H28NO2+ MolecularWeight: 398.51672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)C#CCCO)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)C#CCCO)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H27NO2/c29-18-4-3-7-21-13-15-22(16-14-21)19-28-17-6-10-24(20-28)27(30)26-12-5-9-23-8-1-2-11-25(23)26/h1-2,5,8-9,11-16,24,29H,4,6,10,17-20H2/p+1/t24-/m0/s1